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(5R,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-3-phenyl-1,4,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-5-ol

View entire compound with spectra: 1 MS (GC)

(5R,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-3-phenyl-1,4,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-5-ol
SpectraBase Compound ID 4OBlLctcEVs
InChI InChI=1S/C33H50O/c1-23(2)10-9-11-24(3)28-14-15-29-27-17-21-33(34)22-26(25-12-7-6-8-13-25)16-20-32(33,5)30(27)18-19-31(28,29)4/h6-8,12-13,16,23-24,27-30,34H,9-11,14-15,17-22H2,1-5H3/t24-,27+,28-,29+,30+,31-,32-,33-/m1/s1
InChIKey AELPWKCRNOECPS-GDAOSRGESA-N
Mol Weight 462.8 g/mol
Molecular Formula C33H50O
Exact Mass 462.386166 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3drrB6OHPpM
Name (5R,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-3-phenyl-1,4,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-5-ol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C33H50O
InChI InChI=1S/C33H50O/c1-23(2)10-9-11-24(3)28-14-15-29-27-17-21-33(34)22-26(25-12-7-6-8-13-25)16-20-32(33,5)30(27)18-19-31(28,29)4/h6-8,12-13,16,23-24,27-30,34H,9-11,14-15,17-22H2,1-5H3/t24-,27+,28-,29+,30+,31-,32-,33-/m1/s1
InChIKey AELPWKCRNOECPS-GDAOSRGESA-N
Molecular Weight 462.762 g/mol
SMILES O[C@@]12[C@@]([C@]3(CC[C@]4([C@]([C@@]3(CC2)[H])(CC[C@@]4([C@@](CCCC(C)C)(C)[H])[H])[H])C)[H])(CC=C(c2ccccc2)C1)C
SPLASH splash10-0006-0000900000-bea9cf52b269b00b0cd3
Source of Spectrum J-59-4397-4
Synonyms (5R,8S,9S,10R,13R,14S,17R)-17-[(1R)-1,5-dimethylhexyl]-10,13-dimethyl-3-phenyl-1,4,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-5-ol
Wiley ID 1391227